1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[4-(2-phenoxyethyl)piperazino]propyl]xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O3/c1-24-20-19(21(29)25(2)22(24)30)28(17-23-20)10-6-9-26-11-13-27(14-12-26)15-16-31-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3